(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene

C24H30N8O2 — CID 177367404

IUPAC(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene
SMILESCOCc1nn(C)c2c1-c1cn3c(ncc3cn1)/C=C/c1c(C)nn(C)c1CN(C)CC(C)O2
InChIInChI=1S/C24H30N8O2/c1-15-11-29(3)13-21-18(16(2)27-30(21)4)7-8-22-26-10-17-9-25-19(12-32(17)22)23-20(14-33-6)28-31(5)24(23)34-15/h7-10,12,15H,11,13-14H2,1-6H3/b8-7+
InChIKeyXLROYFKOHPUQEZ-BQYQJAHWSA-N
MW462.56 g/mol
LogP2.70
Rot. Bonds2

About (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene

(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene (PubChem CID 177367404) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene.

Molecular Properties

Compound Name(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene
PubChem CID177367404
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene
SMILESCOCc1nn(C)c2c1-c1cn3c(ncc3cn1)/C=C/c1c(C)nn(C)c1CN(C)CC(C)O2
InChIInChI=1S/C24H30N8O2/c1-15-11-29(3)13-21-18(16(2)27-30(21)4)7-8-22-26-10-17-9-25-19(12-32(17)22)23-20(14-33-6)28-31(5)24(23)34-15/h7-10,12,15H,11,13-14H2,1-6H3/b8-7+
InChIKeyXLROYFKOHPUQEZ-BQYQJAHWSA-N
XLogP2.70
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(8S,17E)-15-ethoxy-3-(methoxymethyl)-5,8,10-trimethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaen-13-yl]propan-2-ol
CID 177367373
(2S)-2-[(8S,17E)-15-ethoxy-3,10-diethyl-5,8-dimethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaen-13-yl]propan-1-ol
CID 177367211
(2R)-1-[(17E)-15-ethoxy-3-(methoxymethyl)-5,10-dimethyl-8-methylidene-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaen-13-yl]propan-2-ol
CID 177367425
(8S,17E)-23-amino-10-ethyl-3-(methoxymethyl)-5,8,13-trimethyl-7-oxa-4,5,10,13,14,21,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene-15-carbonitrile
CID 177367445
(8S,17E)-3,5,8,10,13,15,23-heptamethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaene
CID 172572915
(17E)-5,8,10,13,15,21-hexamethyl-19-methylidene-7-oxa-4,5,10,13,14-pentazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(24),2(6),3,12(16),14,17,20,22-octaene
CID 170618385
(2S)-2-[(8S,17E)-15-ethyl-3,5,8,10-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]propan-1-ol
CID 172573424
(2S)-2-[(8S,17E)-15-ethoxy-3-(methoxymethyl)-5,8,10,15-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),17,19,22,25-octaen-13-yl]propan-1-ol
CID 172573625
(2S)-1-[(8S,17E)-10-ethyl-3-(methoxymethyl)-5,8-dimethyl-15-propan-2-yloxy-7-oxa-4,5,10,13,14,21,26-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaen-13-yl]propan-2-ol
CID 177367538
(2S)-2-[(8S,17E)-15-ethoxy-3,5,8,10-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]-N-methylpropan-1-amine
CID 172573733
2-[(8S,17E)-3,5,8,15-tetramethyl-10-propan-2-yl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172573709
(8S,17E)-15-ethoxy-3,5,8,10-tetramethyl-13-[(2S)-1-piperidin-1-ylpropan-2-yl]-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene
CID 172573593

Frequently Asked Questions

What is the IUPAC name of (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene?
The IUPAC name of (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene (CID 177367404) is (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene.
What is the SMILES notation for (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene?
The canonical SMILES for (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene is COCc1nn(C)c2c1-c1cn3c(ncc3cn1)/C=C/c1c(C)nn(C)c1CN(C)CC(C)O2.
What is the InChIKey of (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene?
The InChIKey is XLROYFKOHPUQEZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-15-11-29(3)13-21-18(16(2)27-30(21)4)7-8-22-26-10-17-9-25-19(12-32(17)22)23-20(14-33-6)28-31(5)24(23)34-15/h7-10,12,15H,11,13-14H2,1-6H3/b8-7+.
What are the key properties of (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene?
(17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene has a molecular weight of 462.56 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (17E)-3-(methoxymethyl)-5,8,10,13,15-pentamethyl-7-oxa-4,5,10,13,14,20,24,26-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,21,23-nonaene is sourced from PubChem (CID 177367404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).